Receptor
PDB id Resolution Class Description Source Keywords
6D9X 1.83 Å EC: 2.1.1.43 DISCOVERY OF POTENT 2-ARYL-6,7-DIHYDRO-5HPYRROLO[ 1,2-A]IMID WDR5 WIN-SITE INHIBITORS USING FRAGMENT-BASED METHODS AND SB ASED DESIGN HOMO SAPIENS WDR5 WIN-SITE FRAGMENT SCREENING STRUCTURE-BASED DESIGN LINEAGE LEUKEMIA DNA BINDING PROTEIN DNA BINDING PROTEIN-COMPLEX
Ref.: DISCOVERY OF POTENT 2-ARYL-6,7-DIHYDRO-5 H-PYRROLO[ A]IMIDAZOLES AS WDR5-WIN-SITE INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN. J. MED. CHEM. V. 61 5623 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:501;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
FZM A:502;
 Valid;
 none;
 Ki = 323 uM
184.237 C12 H12 N2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6UCS 1.85 Å EC: 2.1.1.43 DISCOVERY AND STRUCTURE-BASED OPTIMIZATION OF POTENT AND SEL WDR5 INHIBITORS CONTAINING A DIHYDROISOQUINOLINONE BICYCLIC HOMO SAPIENS WDR5 STRUCTURE-BASED DESIGN MIXED-LINEAGE LEUKEMIA TRANSC
Ref.: DISCOVERY AND STRUCTURE-BASED OPTIMIZATION OF POTEN SELECTIVE WD REPEAT DOMAIN 5 (WDR5) INHIBITORS CONT DIHYDROISOQUINOLINONE BICYCLIC CORE. J.MED.CHEM. V. 63 656 2020
Members (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
70% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FZM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 FZM 1 1
2 G1Y 0.465753 0.772727
3 G2V 0.439394 0.772727
Similar Ligands (3D)
Ligand no: 1; Ligand: FZM; Similar ligands found: 681
No: Ligand Similarity coefficient
1 XCG 0.9900
2 TMG 0.9799
3 S0D 0.9752
4 QME 0.9742
5 X48 0.9677
6 BP7 0.9672
7 3VS 0.9639
8 VC3 0.9636
9 92G 0.9616
10 ZRK 0.9598
11 JAH 0.9594
12 PQS 0.9589
13 6P3 0.9589
14 KLS 0.9587
15 SWX 0.9584
16 6FB 0.9576
17 363 0.9568
18 PQM 0.9554
19 TYR 0.9527
20 0SY 0.9514
21 6SD 0.9511
22 E3X 0.9500
23 3VQ 0.9500
24 C0H 0.9487
25 833 0.9484
26 11X 0.9483
27 HX4 0.9481
28 A5E 0.9474
29 4HB 0.9470
30 JCZ 0.9463
31 LZ5 0.9461
32 2PV 0.9455
33 MR6 0.9453
34 A51 0.9449
35 MSR 0.9449
36 6H2 0.9439
37 CPZ 0.9439
38 9FH 0.9435
39 FYR 0.9431
40 HC4 0.9431
41 1Z6 0.9429
42 PPY 0.9428
43 C53 0.9428
44 0UL 0.9423
45 2QC 0.9422
46 G14 0.9422
47 EQW 0.9412
48 ODK 0.9409
49 1A5 0.9408
50 BNL 0.9405
51 3VX 0.9400
52 TID 0.9398
53 GVY 0.9395
54 2PK 0.9391
55 8D6 0.9389
56 C82 0.9382
57 A5Q 0.9382
58 F4K 0.9378
59 C1M 0.9376
60 GO2 0.9373
61 50C 0.9371
62 ZZA 0.9370
63 LR8 0.9369
64 TZF 0.9366
65 SNU 0.9361
66 P81 0.9361
67 QIV 0.9359
68 EN1 0.9351
69 JMG 0.9349
70 36Y 0.9343
71 S7D 0.9342
72 F4E 0.9342
73 2FX 0.9340
74 0NX 0.9336
75 5E5 0.9334
76 F18 0.9326
77 SOJ 0.9325
78 X0U 0.9322
79 4FF 0.9319
80 80G 0.9298
81 PRL 0.9296
82 XDK 0.9294
83 M4N 0.9291
84 EAT 0.9290
85 H75 0.9290
86 0OK 0.9286
87 4LW 0.9284
88 L2K 0.9280
89 2JX 0.9277
90 KLE 0.9273
91 DHC 0.9271
92 MPV 0.9270
93 ENO 0.9268
94 QBP 0.9263
95 4FC 0.9262
96 2D2 0.9262
97 FMQ 0.9258
98 7EH 0.9257
99 5B2 0.9256
100 AN3 0.9255
101 RA7 0.9254
102 4I8 0.9254
103 ERZ 0.9252
104 GZ2 0.9252
105 7O4 0.9249
106 N91 0.9247
107 PUE 0.9246
108 OLU 0.9243
109 Z70 0.9241
110 N9J 0.9238
111 Y3L 0.9236
112 ESP 0.9232
113 4CN 0.9231
114 M6H 0.9230
115 ESX 0.9229
116 KTJ 0.9229
117 XIZ 0.9228
118 4V2 0.9225
119 CBE 0.9224
120 4BY 0.9223
121 DAH 0.9221
122 HNK 0.9220
123 LJ3 0.9216
124 5LA 0.9214
125 A5H 0.9214
126 HIC 0.9213
127 78Y 0.9209
128 TOH 0.9203
129 ICB 0.9202
130 B1J 0.9202
131 C4E 0.9202
132 LVD 0.9198
133 0FR 0.9197
134 54E 0.9196
135 8CC 0.9194
136 I2E 0.9193
137 ALE 0.9192
138 6KT 0.9191
139 FHV 0.9189
140 TCA 0.9189
141 MUK 0.9188
142 795 0.9186
143 BZ2 0.9185
144 YZM 0.9183
145 56D 0.9183
146 7VP 0.9180
147 KMY 0.9177
148 AOY 0.9177
149 AVX 0.9175
150 HXY 0.9174
151 HNH 0.9172
152 U13 0.9172
153 AOT 0.9171
154 FQX 0.9170
155 BQ2 0.9169
156 YIP 0.9168
157 5H6 0.9163
158 TYC 0.9159
159 MR4 0.9159
160 68B 0.9158
161 IWT 0.9155
162 KF5 0.9155
163 BZE 0.9151
164 ZRL 0.9149
165 BPY 0.9143
166 9JT 0.9138
167 LGT 0.9132
168 PH3 0.9132
169 GB5 0.9131
170 FCD 0.9130
171 P80 0.9130
172 4LV 0.9129
173 EQA 0.9127
174 4AU 0.9127
175 FF2 0.9126
176 LQ2 0.9126
177 AWE 0.9124
178 1KN 0.9122
179 YE6 0.9122
180 6MW 0.9120
181 5VU 0.9119
182 6J5 0.9115
183 RKV 0.9115
184 1VK 0.9114
185 LO1 0.9113
186 3VW 0.9113
187 4FP 0.9112
188 HPP 0.9112
189 MR5 0.9111
190 XIF XYP 0.9107
191 XYP XIF 0.9107
192 ITE 0.9105
193 NK5 0.9105
194 DTY 0.9103
195 L22 0.9102
196 A9B 0.9101
197 PO6 0.9101
198 LR2 0.9101
199 J9N 0.9099
200 1ZC 0.9098
201 KYN 0.9098
202 HCI 0.9096
203 4G2 0.9094
204 3ZB 0.9093
205 72D 0.9091
206 397 0.9090
207 4BF 0.9090
208 M3E 0.9090
209 0BP 0.9089
210 47V 0.9087
211 LL1 0.9086
212 W29 0.9086
213 OQC 0.9085
214 XI7 0.9082
215 L13 0.9082
216 9NB 0.9081
217 BVS 0.9080
218 BGU 0.9078
219 HRM 0.9078
220 S7S 0.9075
221 PIQ 0.9072
222 6C5 0.9072
223 TJM 0.9072
224 2P3 0.9071
225 4XF 0.9071
226 PJW 0.9069
227 6C4 0.9064
228 1A7 0.9063
229 TYE 0.9063
230 RQD 0.9063
231 MJW 0.9062
232 0DF 0.9062
233 NE2 0.9056
234 TYL 0.9055
235 NFA 0.9054
236 4NB 0.9052
237 613 0.9050
238 4GU 0.9050
239 CH9 0.9048
240 SQ4 0.9045
241 I3E 0.9043
242 D9Z 0.9039
243 BVA 0.9038
244 GT4 0.9037
245 JGB 0.9035
246 N1E 0.9035
247 28A 0.9034
248 WA1 0.9031
249 4Z1 0.9031
250 657 0.9031
251 0ON 0.9031
252 R9J 0.9030
253 5S9 0.9030
254 K80 0.9028
255 5OO 0.9028
256 ZEC 0.9027
257 F02 0.9026
258 DXK 0.9025
259 TB8 0.9024
260 4NP 0.9023
261 PIM 0.9019
262 492 0.9018
263 HFA 0.9014
264 2J1 0.9014
265 FCW 0.9014
266 K7H 0.9013
267 JBZ 0.9012
268 PFF 0.9011
269 FBC 0.9011
270 AHN 0.9009
271 4Z9 0.9007
272 4WL 0.9007
273 3YP 0.9006
274 FER 0.9003
275 D2G 0.8999
276 DPN 0.8998
277 JRB 0.8998
278 JF8 0.8997
279 HL4 0.8996
280 MXD 0.8995
281 1F1 0.8995
282 RSV 0.8995
283 BZJ 0.8994
284 5OR 0.8994
285 26C 0.8992
286 5TT 0.8991
287 4BL 0.8990
288 UNJ 0.8990
289 1L5 0.8989
290 HNL 0.8989
291 0K7 0.8988
292 K3D 0.8988
293 1EB 0.8988
294 PHE 0.8987
295 7MW 0.8986
296 SQV 0.8986
297 1PS 0.8985
298 6HO 0.8985
299 K97 0.8984
300 S0W 0.8984
301 4FE 0.8984
302 ANC 0.8984
303 SQ7 0.8983
304 L15 0.8982
305 LOT 0.8981
306 61M 0.8981
307 6QF 0.8980
308 TT4 0.8977
309 CC5 0.8974
310 EVF 0.8974
311 X6W 0.8973
312 3R4 0.8972
313 TRP 0.8970
314 6FZ 0.8970
315 6NT 0.8970
316 28B 0.8969
317 36E 0.8966
318 IS2 0.8964
319 BBY 0.8964
320 SNO 0.8963
321 NY4 0.8961
322 S60 0.8960
323 RNO 0.8959
324 68A 0.8959
325 BZQ 0.8958
326 J6W 0.8958
327 3D8 0.8956
328 X11 0.8953
329 S0A 0.8952
330 2ZM 0.8951
331 R20 0.8950
332 FHC 0.8949
333 HIS 0.8948
334 4RU 0.8948
335 ESI 0.8945
336 9UL 0.8944
337 H4B 0.8944
338 L03 0.8942
339 F40 0.8938
340 6FG 0.8935
341 JA5 0.8934
342 KWB 0.8934
343 CK2 0.8931
344 0HN 0.8931
345 6NI 0.8931
346 5AD 0.8930
347 5TY 0.8930
348 OOG 0.8930
349 XYP XDN 0.8929
350 XDN XYP 0.8929
351 DDU 0.8927
352 JAW 0.8923
353 D3G 0.8922
354 MD6 0.8922
355 BRH 0.8922
356 3NY 0.8919
357 8V8 0.8918
358 NCT 0.8915
359 6C9 0.8914
360 XDL XYP 0.8913
361 XIL 0.8913
362 4BX 0.8910
363 P7Y 0.8909
364 BIO 0.8908
365 4MB 0.8908
366 2HC 0.8907
367 N4E 0.8906
368 NFZ 0.8905
369 5O6 0.8904
370 37E 0.8904
371 WV7 0.8904
372 PTB 0.8902
373 URO 0.8900
374 WCU 0.8899
375 EES 0.8899
376 TIA 0.8894
377 2WU 0.8892
378 A7H 0.8890
379 K4V 0.8890
380 1XS 0.8889
381 GGB 0.8889
382 15N 0.8888
383 CNI 0.8888
384 CX6 0.8888
385 P4T 0.8887
386 4NS 0.8887
387 9FL 0.8887
388 MMS 0.8887
389 GB4 0.8886
390 4NZ 0.8885
391 4ZA 0.8884
392 7ZL 0.8883
393 6C8 0.8883
394 L1T 0.8880
395 ZHA 0.8880
396 LSQ 0.8879
397 B21 0.8879
398 ZTW 0.8878
399 9ZE 0.8877
400 SZ7 0.8877
401 P7V 0.8876
402 THA 0.8876
403 M78 0.8875
404 IOP 0.8874
405 CFA 0.8874
406 IYR 0.8874
407 GO8 0.8873
408 TIH 0.8872
409 0JD 0.8870
410 HNT 0.8869
411 IPO 0.8869
412 S7J 0.8868
413 6ZX 0.8867
414 8NB 0.8866
415 AMR 0.8866
416 12T 0.8863
417 PLP 0.8861
418 XRS 0.8859
419 ZSP 0.8857
420 SNV 0.8853
421 OA1 0.8853
422 LR5 0.8850
423 PCQ 0.8850
424 S0E 0.8848
425 AJG 0.8848
426 1X4 0.8844
427 5C1 0.8844
428 BX4 0.8844
429 S98 0.8842
430 ATX 0.8840
431 2K8 0.8840
432 0HO 0.8839
433 428 0.8837
434 MMJ 0.8836
435 HJH 0.8835
436 GOE 0.8834
437 GF4 0.8834
438 7FU 0.8832
439 2GQ 0.8831
440 IDZ 0.8830
441 KTW 0.8829
442 L14 0.8828
443 3AE 0.8828
444 Z21 0.8826
445 E4P 0.8826
446 3XH 0.8826
447 2QV 0.8826
448 9CE 0.8825
449 SKF 0.8823
450 PBA 0.8821
451 OTR 0.8821
452 5TO 0.8820
453 DRG 0.8820
454 JB8 0.8820
455 M83 0.8817
456 HHI 0.8817
457 PNP 0.8816
458 4AF 0.8815
459 RP3 0.8814
460 ANF 0.8814
461 5GT 0.8814
462 1HP 0.8813
463 26P 0.8812
464 P4L 0.8812
465 KW7 0.8810
466 344 0.8810
467 3L1 0.8810
468 V2Z 0.8809
469 4P5 0.8809
470 27B 0.8808
471 JDN 0.8807
472 ARG 0.8802
473 36M 0.8801
474 DEZ 0.8801
475 4CM 0.8801
476 LUM 0.8800
477 92O 0.8800
478 ZYQ 0.8799
479 VUP 0.8798
480 HQJ 0.8797
481 BIK 0.8797
482 7L4 0.8795
483 245 0.8795
484 ENW 0.8795
485 V1T 0.8794
486 FBF 0.8794
487 GVG 0.8792
488 5FL 0.8791
489 P9E 0.8791
490 1DR 0.8790
491 7N8 0.8789
492 FTV 0.8789
493 SLS 0.8789
494 8XL 0.8787
495 EYV 0.8785
496 5TU 0.8783
497 FDR 0.8783
498 GJK 0.8779
499 38E 0.8779
500 7R4 0.8778
501 5NI 0.8778
502 J1K 0.8777
503 XYS XYP 0.8775
504 AJ1 0.8775
505 PHI 0.8775
506 27K 0.8775
507 XYP XYP 0.8775
508 NDD 0.8773
509 AA 0.8772
510 DHI 0.8769
511 H2B 0.8768
512 HWD 0.8767
513 GJP 0.8766
514 TCR 0.8766
515 Q06 0.8766
516 CK1 0.8766
517 HHS 0.8766
518 M45 0.8763
519 EUE 0.8762
520 7FZ 0.8761
521 2QU 0.8757
522 FC2 0.8757
523 9BF 0.8757
524 NKI 0.8756
525 PIY 0.8755
526 1HN 0.8752
527 4ZF 0.8752
528 4AB 0.8751
529 E7S 0.8751
530 M3H 0.8750
531 3A9 0.8750
532 Q9T 0.8748
533 IIH 0.8748
534 1V1 0.8747
535 E1T 0.8745
536 0NJ 0.8744
537 LNR 0.8743
538 SX2 0.8743
539 A7Q 0.8742
540 0XR 0.8741
541 94W 0.8741
542 THU 0.8740
543 UA5 0.8739
544 HDH 0.8739
545 N0Z 0.8738
546 N8Z 0.8737
547 54X 0.8736
548 6L6 0.8735
549 SOV 0.8733
550 5F8 0.8732
551 MAJ 0.8730
552 A6W 0.8730
553 5GV 0.8728
554 7G0 0.8728
555 EXD 0.8727
556 A6Z 0.8727
557 E0O 0.8726
558 XYS XYS 0.8725
559 9CA 0.8724
560 6DQ 0.8724
561 CHQ 0.8723
562 BSA 0.8722
563 SJK 0.8722
564 SHI 0.8722
565 51Y 0.8721
566 RCV 0.8720
567 1Q1 0.8718
568 A5P 0.8715
569 A73 0.8715
570 A7N 0.8714
571 6N4 0.8710
572 1IT 0.8710
573 RYV 0.8710
574 WLH 0.8709
575 RGK 0.8708
576 IOS 0.8706
577 4CF 0.8704
578 SZ5 0.8703
579 AM4 0.8701
580 94X 0.8700
581 25F 0.8698
582 3F4 0.8696
583 HBO 0.8695
584 1OT 0.8694
585 5VL 0.8693
586 N2M 0.8693
587 AES 0.8690
588 TZP 0.8687
589 20D 0.8687
590 MZR 0.8686
591 6CL 0.8685
592 DBS 0.8684
593 API 0.8682
594 D25 0.8682
595 PMP 0.8682
596 5RP 0.8681
597 II4 0.8680
598 M5H 0.8674
599 HBI 0.8674
600 5TZ 0.8673
601 DZA 0.8671
602 YZ9 0.8671
603 DFL 0.8671
604 X2M 0.8669
605 WS7 0.8669
606 TR4 0.8669
607 3D3 0.8667
608 HSX 0.8666
609 3QV 0.8665
610 AUV 0.8665
611 5SJ 0.8659
612 650 0.8659
613 AKG 0.8659
614 3SU 0.8658
615 14W 0.8658
616 9R5 0.8654
617 Q4G 0.8653
618 B4O 0.8652
619 S2P 0.8650
620 4F8 0.8650
621 3Y7 0.8649
622 2F6 0.8649
623 ABI 0.8648
624 SSC 0.8647
625 120 0.8645
626 BHS 0.8645
627 CIY 0.8644
628 MTL 0.8644
629 OSP 0.8643
630 DNQ 0.8642
631 2UD 0.8637
632 UAY 0.8633
633 64Z 0.8633
634 801 0.8630
635 H4E 0.8628
636 CTE 0.8625
637 2LT 0.8622
638 N7I 0.8620
639 N3W 0.8619
640 5F5 0.8619
641 NAG 0.8618
642 G6P 0.8617
643 LEL 0.8615
644 4BZ 0.8615
645 DX7 0.8614
646 4Z3 0.8613
647 3GX 0.8612
648 7G2 0.8609
649 549 0.8609
650 8NX 0.8606
651 CSN 0.8605
652 HH6 0.8603
653 CR4 0.8600
654 YE7 0.8598
655 J9Q 0.8593
656 ODO 0.8593
657 CIR 0.8591
658 NQ7 0.8589
659 T2D 0.8578
660 DE5 0.8578
661 YTX 0.8576
662 2B4 0.8576
663 122 0.8573
664 15E 0.8572
665 P93 0.8571
666 JG8 0.8570
667 GWM 0.8569
668 0F3 0.8566
669 F1X 0.8566
670 MKN 0.8564
671 SB7 0.8564
672 BSU 0.8556
673 VM1 0.8553
674 KLV 0.8544
675 0X2 0.8539
676 2HU 0.8538
677 0OY 0.8534
678 GNM 0.8530
679 5V7 0.8520
680 EQU 0.8509
681 531 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6UCS; Ligand: Q41; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6ucs.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6UCS; Ligand: Q41; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6ucs.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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